Detailed information for compound 1540275

Basic information

Technical information
  • TDR Targets ID: 1540275
  • Name: 3-cyclohexyl-1-(1-propan-2-ylpiperidin-4-yl)u rea
  • MW: 267.41 | Formula: C15H29N3O
  • H donors: 2 H acceptors: 1 LogP: 2.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N1CCC(CC1)NC(=O)NC1CCCCC1)C
  • InChi: 1S/C15H29N3O/c1-12(2)18-10-8-14(9-11-18)17-15(19)16-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H2,16,17,19)
  • InChiKey: PXODWAMIRJXQDD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-cyclohexyl-1-(1-isopropyl-4-piperidyl)urea
  • 3-cyclohexyl-1-(1-isopropyl-4-piperidinyl)urea
  • IVK/0014449
  • MLS000679423
  • N-cyclohexyl-N'-(1-isopropyl-4-piperidinyl)urea
  • SMR000297582

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TAR-binding protein 0.0067 0.4591 0.4591
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4591 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.3289 0.3289
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.4591 0.4591
Brugia malayi T-complex protein 1, beta subunit 0.0026 0.0814 0.0814
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1255 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.4591 0.4591
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1255 1
Brugia malayi T-complex protein 1, beta subunit 0.0026 0.0814 0.0814
Trichomonas vaginalis chaperonin, putative 0.0026 0.0814 0.5
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0814 0.1773
Echinococcus multilocularis tar DNA binding protein 0.0067 0.4591 1
Brugia malayi TAR-binding protein 0.0067 0.4591 0.4591
Loa Loa (eye worm) RNA binding protein 0.0067 0.4591 0.4591
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0814 0.1773
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0026 0.0814 0.5
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0026 0.0814 0.1773
Echinococcus granulosus tar DNA binding protein 0.0067 0.4591 1
Brugia malayi hypothetical protein 0.002 0.027 0.027
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.3289 0.3289
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1767 0.1767
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4591 1
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0026 0.0814 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.3289 0.3289
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1255 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4591 1
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0026 0.0814 0.1773
Loa Loa (eye worm) hypothetical protein 0.003 0.1255 0.1255
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4591 1
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0026 0.0814 0.1773
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1255 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1255 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.3289 0.3289
Loa Loa (eye worm) transcription factor SMAD2 0.0126 1 1
Brugia malayi hypothetical protein 0.003 0.1255 0.1255
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1255 1
Schistosoma mansoni hypothetical protein 0.0036 0.1767 0.3848
Loa Loa (eye worm) T-complex protein 1 0.0026 0.0814 0.0814
Giardia lamblia TCP-1 chaperonin subunit beta 0.0026 0.0814 0.5
Brugia malayi RNA binding protein 0.0067 0.4591 0.4591
Loa Loa (eye worm) hypothetical protein 0.0036 0.1767 0.1767
Leishmania major hypothetical protein, conserved 0.003 0.1255 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1255 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4591 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1337 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.9285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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